SCHEMBL19207002

SCHEMBL19207002

Cn1cc(-c2cccc(C(F)(F)F)n2)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.47
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
TGFBR1 P36897 5/20 0.42
GRIN2B Q13224 3/20 0.40
PDE10A Q9Y233 1/20 0.38
IDH1 O75874 1/20 0.38
IDH2 P48735 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
GRIN1 Q05586 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
P2RX7 Q99572 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19207150 0.81 TGFBR1 (0.47) HCRTR1TGFBR1IRAK4
SCHEMBL16321221 0.79 ALDH1A1 (0.44) HCRTR1CSNK1DCSNK1ETGFBR1IDH1
SCHEMBL20028677 0.79 TGFBR1 (0.47) CSNK1DCSNK1ETGFBR1GRIN2BTAS2R14
SCHEMBL28648256 0.77 TGFBR1 (0.40) HCRTR1CSNK1DCSNK1ETGFBR1GRIN2B
SCHEMBL19207143 0.77 TGFBR1 (0.43) HCRTR1CSNK1DCSNK1ETGFBR1IRAK4
SCHEMBL16003311 0.74 PDE10A (0.53) TGFBR1GRIN2BPDE10AIDH1IDH2
SCHEMBL19207096 0.73 BRD4 (0.47) HCRTR1
SCHEMBL8895248 0.72 CA12 (0.46) TGFBR1IDH1IDH2TAS2R14P2RX7
SCHEMBL8889787 0.71 CA12 (0.51) HCRTR1TGFBR1
SCHEMBL2817067 0.70 HCRTR1 (0.42) HCRTR1IRAK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 US disclosed
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2022-09-06 US disclosed
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US disclosed
EP-3414241-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2018-12-19 EP disclosed
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885CSNK1D 1213/4885CSNK1E 2364/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885CSNK1D 1213/4885CSNK1E 2364/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885CSNK1D 1213/4885CSNK1E 2364/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885CSNK1D 1213/4885CSNK1E 2364/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885CSNK1D 1213/4885CSNK1E 2364/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885CSNK1D 1213/4885CSNK1E 2364/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.